1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide

C10H15Br2N — CID 70066114

IUPAC1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
SMILESBr.Br.N.c1ccc2c(c1)CC1CC21
InChIInChI=1S/C10H10.2BrH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;;/h1-4,8,10H,5-6H2;2*1H;1H3
InChIKeyHXHJIFIYQBGTDG-UHFFFAOYSA-N
MW309.05 g/mol
LogP3.66
Rot. Bonds

About 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide

1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide (PubChem CID 70066114) has the molecular formula C10H15Br2N and a molecular weight of 309.05 g/mol. Its IUPAC name is 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide.

Molecular Properties

Compound Name1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
PubChem CID70066114
Molecular FormulaC10H15Br2N
Molecular Weight309.05 g/mol
Exact Mass306.96
IUPAC Name1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
SMILESBr.Br.N.c1ccc2c(c1)CC1CC21
InChIInChI=1S/C10H10.2BrH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;;/h1-4,8,10H,5-6H2;2*1H;1H3
InChIKeyHXHJIFIYQBGTDG-UHFFFAOYSA-N
XLogP3.66
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.05
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol
CID 54556760
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398

Frequently Asked Questions

What is the IUPAC name of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide?
The IUPAC name of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide (CID 70066114) is 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide.
What is the SMILES notation for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide?
The canonical SMILES for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide is Br.Br.N.c1ccc2c(c1)CC1CC21.
What is the InChIKey of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide?
The InChIKey is HXHJIFIYQBGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.2BrH.H3N/c1-2-4-9-7(3-1)5-8-6-10(8)9;;;/h1-4,8,10H,5-6H2;2*1H;1H3.
What are the key properties of 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide?
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide has a molecular weight of 309.05 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide is sourced from PubChem (CID 70066114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).